Category:Common Pitfalls: Difference between revisions
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Revision as of 11:36, 3 November 2020
- What kind of "technical" errors do exist, an overview: Technical errors.
- Number of bands NBANDS.
- High quality quantitative versus qualitative calculations.
- Energy cut off and FFT mesh.
- Smearing be careful with the default ISMEAR.
- Number of k points and method for smearing.
- Performance issues, try NCORE, KPAR, ALGO, LREAL.
- Precision, symmetry and POSCAR.
- FAQ.
Pages in category "Common Pitfalls"
The following 8 pages are in this category, out of 8 total.